2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine

C22H36N4 — CID 157370337

IUPAC2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine
SMILESCCc1cc(C)c(N)c(CC)c1N.CCc1ccccc1C(N)(N)CC
InChIInChI=1S/2C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13;1-3-9-7-5-6-8-10(9)11(12,13)4-2/h6H,4-5,12-13H2,1-3H3;5-8H,3-4,12-13H2,1-2H3
InChIKeyBJRMFEMCLYPECN-UHFFFAOYSA-N
MW356.56 g/mol
LogP4.01
Rot. Bonds5

About 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine

2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine (PubChem CID 157370337) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine.

Molecular Properties

Compound Name2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine
PubChem CID157370337
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine
SMILESCCc1cc(C)c(N)c(CC)c1N.CCc1ccccc1C(N)(N)CC
InChIInChI=1S/2C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13;1-3-9-7-5-6-8-10(9)11(12,13)4-2/h6H,4-5,12-13H2,1-3H3;5-8H,3-4,12-13H2,1-2H3
InChIKeyBJRMFEMCLYPECN-UHFFFAOYSA-N
XLogP4.01
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine
CID 173322817
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
amino-(2-ethylphenyl)methanediol
CID 174590364
2,4-diamino-3,5-diethylbenzenethiol
CID 150249754
2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
CID 157436995
1-(3-chloropentan-3-yl)-2,3-diethylbenzene
CID 140983253
1,2-diethyl-3-(3-ethylpentan-3-yl)benzene
CID 19809738
2,4-diethyl-3-isothiocyanato-6-methylaniline
CID 11053190
2,3,6-triethylaniline
CID 21412862
4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline
CID 146637457
2-amino-3,4,5-triethylbenzenethiol
CID 134347256

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine?
The IUPAC name of 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine (CID 157370337) is 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine.
What is the SMILES notation for 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine?
The canonical SMILES for 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine is CCc1cc(C)c(N)c(CC)c1N.CCc1ccccc1C(N)(N)CC.
What is the InChIKey of 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine?
The InChIKey is BJRMFEMCLYPECN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13;1-3-9-7-5-6-8-10(9)11(12,13)4-2/h6H,4-5,12-13H2,1-3H3;5-8H,3-4,12-13H2,1-2H3.
What are the key properties of 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine?
2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine has a molecular weight of 356.56 g/mol, XLogP of 4.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-methylbenzene-1,3-diamine;1-(2-ethylphenyl)propane-1,1-diamine is sourced from PubChem (CID 157370337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).